Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C24H28O3/c1-5-6-11-24(3,4)19-14-21(25)20-13-18(23(26)27-22(20)15-19)12-17-10-8-7-9-16(17)2/h7-10,13-15,25H,5-6,11-12H2,1-4H3
SMILES CCCCC(c1cc(O)c2c(c1)oc(=O)c(c2)Cc1ccccc1C)(C)C
InChI Key YZFRGHMJYKGNIB-UHFFFAOYSA-N
Molecular Formula C24H28O3
Exact Mass 364.477 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YZFRGHMJYKGNIB-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/YZFRGHMJYKGNIB-UHFFFAOYSA-N/CHMO0000595
Version
Author Maximilian Knab
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-06-29
Related Molecule
  • 5-hydroxy-7-(2-methylhexan-2-yl)-3-[(2-methylphenyl)methyl]chromen-2-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL4850045 ChEMBL
    163410444 PubChem
    The data in this table is sourced from UniChem at EBI.